SCHEMBL31465645

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.55

▸	AGTR1	P30556	1/20	0.53

▸	AGTR2	P50052	1/20	0.53

▸	CALCRL	Q16602	2/20	0.52

▸	NTSR2	O95665	6/20	0.52

▸	NTSR1	P30989	6/20	0.52

▸	REN	P00797	1/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	SORT1	Q99523	4/20	0.50

▸	F2	P00734	1/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30150551	0.90	CALCRL (0.58)	SLC6A2AGTR1AGTR2CALCRLF2
SCHEMBL30622604	0.89	NTSR1 (0.59)	SLC6A2NTSR2NTSR1SORT1
SCHEMBL7279684	0.89	NTSR1 (0.57)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL38659835	0.89	SLC6A2 (0.67)	SLC6A2AGTR1AGTR2CALCRLNTSR2
SCHEMBL29710497	0.88	NTSR2 (0.57)	NTSR2NTSR1RENMAPK8MAPK9
SCHEMBL31151767	0.87	SLC6A2 (0.59)	SLC6A2AGTR1AGTR2NTSR2NTSR1
SCHEMBL29713810	0.87	CALCRL (0.54)	SLC6A2AGTR1AGTR2CALCRLNTSR2
SCHEMBL29539289	0.87	AGTR2 (0.58)	AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL38657879	0.87	SLC6A2 (0.63)	SLC6A2CALCRLOPRM1OPRD1
SCHEMBL31182814	0.86	F2 (0.57)	AGTR1AGTR2NTSR2NTSR1REN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20250034551-A1	METHODS AND SYSTEMS FOR HIGH-THROUGHPUT BIOCHEMICAL SCREENS	NATIONAL SCIENCE FOUNDATION	2025-01-30	—	—	US	disclosed